CID 165648545

2751621-60-8

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
CC(COC1=NC(=CS1)C(=O)O)N
InChI
InChI=1S/C7H10N2O3S/c1-4(8)2-12-7-9-5(3-13-7)6(10)11/h3-4H,2,8H2,1H3,(H,10,11)
InChIKey
SXFCJIMYNQDAAP-UHFFFAOYSA-N
Compound name
2-(2-aminopropoxy)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04121 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.048486 142.0
[M+Na]+ 225.030428 149.4
[M-H]- 201.033934 142.9
[M+NH4]+ 220.075033 160.7
[M+K]+ 241.004368 147.7
[M+H-H2O]+ 185.038470 135.8
[M+HCOO]- 247.039411 158.9
[M+CH3COO]- 261.055061 181.6
[M+Na-2H]- 223.015876 141.6
[M]+ 202.04066142 143.7
[M]- 202.04175858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.